2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide

C21H24FNO3S — CID 55713467

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NC(C)c2cccc(OC(C)C)c2)c(F)c1
InChIInChI=1S/C21H24FNO3S/c1-13(2)26-18-7-5-6-16(10-18)14(3)23-21(25)12-27-20-9-8-17(15(4)24)11-19(20)22/h5-11,13-14H,12H2,1-4H3,(H,23,25)
InChIKeyWLYMZOQTQAGYNU-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.78
Rot. Bonds8

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 55713467) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID55713467
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NC(C)c2cccc(OC(C)C)c2)c(F)c1
InChIInChI=1S/C21H24FNO3S/c1-13(2)26-18-7-5-6-16(10-18)14(3)23-21(25)12-27-20-9-8-17(15(4)24)11-19(20)22/h5-11,13-14H,12H2,1-4H3,(H,23,25)
InChIKeyWLYMZOQTQAGYNU-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
3-(propan-2-ylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 60852899
4-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 63307817
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 55904162
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
[2-[1-(3-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 50929744
propan-2-yl 3-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-3-(2-nitrophenyl)propanoate
CID 55439689
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 35612850
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide (CID 55713467) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide is CC(=O)c1ccc(SCC(=O)NC(C)c2cccc(OC(C)C)c2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is WLYMZOQTQAGYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3S/c1-13(2)26-18-7-5-6-16(10-18)14(3)23-21(25)12-27-20-9-8-17(15(4)24)11-19(20)22/h5-11,13-14H,12H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 389.49 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 55713467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).